2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

InChI

InChI=1S/C18H24N4O2S/c1-13(2)19-17(23)12-25-18-14-5-3-4-6-15(14)20-16(21-18)11-22-7-9-24-10-8-22/h3-6,13H,7-12H2,1-2H3,(H,19,23)/p+1